Structure database (LMSD)

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LM IDLMPR02010001
Common NameCoenzyme Q10 (W)
Systematic Name-
SynonymsUbiquinone-10
Exact Mass
862.6839 (neutral)    Calculate m/z:
FormulaC59H90O4
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
LIPIDBANK IDVCQ0001
PubChem Substance ID (SID)4266323
METABOLOMICS ID-
KEGG IDC00399
HMDB IDHMDB06709
YMDB ID-
CHEBI ID16389
InChIKeyACTIUHUUMQJHFO-UPTCCGCDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-1
9-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(
12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,
29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-3
8+,52-40+,53-42+
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms63Rings1Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
1015.10Topological Polar
Surface Area
52.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP17.85Molar
Refractivity
274.72    
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